[gmx-developers] MDAnalysis' libxdrfile2 vs. GROMACS' xdrfile

Mark Abraham mark.j.abraham at gmail.com
Wed Oct 14 15:34:08 CEST 2015


Hi,

There is

git clone git://git.gromacs.org/libxdrfile.git

but whoever's been making updates (David?) hasn't pushed whatever content
has gone into 1.1.[234]

Mark

On Wed, Oct 14, 2015 at 2:51 PM Dominik 'Rathann' Mierzejewski <
dominik at greysector.net> wrote:

> On Tuesday, 12 May 2015 at 10:19, David van der Spoel wrote:
> > On 2015-05-12 08:27, Roland Schulz wrote:
> > >Should we add xdrfile to gerrit so that we can easily accepts patches
> > >our standard way?
> > Would be great if it is not too much work...
>
> Sorry to revive an old thread, but it looks like there was no
> conclusion. Where is the source code for xdrfile located? I can find no
> other location than
> http://www.gromacs.org/Developer_Zone/Programming_Guide/XTC_Library
> which links to ftp://ftp.gromacs.org/pub/contrib/xdrfile-1.1.4.tar.gz
>
> In the meantime, there is ongoing work to rewrite xdrfile by MDAnalysis:
> https://github.com/MDAnalysis/mdanalysis/issues/419
>
> I mentioned this thread there. Could you guys join efforts to avoid
> duplication of work?
>
> Regards,
> Dominik (still working on packaging MDAnalysis for Fedora)
> --
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